6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol

C12H19N3O — CID 115834042

IUPAC6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1C2CCCC21
InChIInChI=1S/C12H19N3O/c1-2-6-15-10(7-13-14-15)12(16)11-8-4-3-5-9(8)11/h7-9,11-12,16H,2-6H2,1H3
InChIKeyVMOBRDHZPCTSOU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds4

About 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol

6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol (PubChem CID 115834042) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
PubChem CID115834042
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1C2CCCC21
InChIInChI=1S/C12H19N3O/c1-2-6-15-10(7-13-14-15)12(16)11-8-4-3-5-9(8)11/h7-9,11-12,16H,2-6H2,1H3
InChIKeyVMOBRDHZPCTSOU-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105127137
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687956
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol (CID 115834042) is 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol?
The InChIKey is VMOBRDHZPCTSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-15-10(7-13-14-15)12(16)11-8-4-3-5-9(8)11/h7-9,11-12,16H,2-6H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol?
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 115834042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).